Structure of PDB 6kgx Chain b4 Binding Site BS04

Receptor Information
>6kgx Chain b4 (length=323) Species: 35688 (Porphyridium purpureum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTLPGTAETNLAVPSNAVRKVQPYPIAKPPSYSSVDSLRPARVSRMDADW
ATIYEQVRRQVMGNAYVMEGEAPDIDVAFSQLKGGNLTVREFVRAVGKSA
SYRTRFMEAKSSYNFVLLNFKHFLGRAPTQEEVSTHIQILATSGLEAEID
SYIDSDEYKALFGDHVVPYVVYRGTYLSSERFNRMVKANPGGATSDKAKS
NLNMIATVAADLPTDAIDVMRGLPSPITSETLAFGTAYYWAKVEKEASEG
RSASPIGEKIGKFDHAPISTYTSLCSYDKVNKAPQISVTNVGSDEHSYVS
VTSKYIAPDMAAAAQMLADCQKY
Ligand information
Ligand IDPEB
InChIInChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14-15,19-20,26,34H,2,7,9-13H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-,29-15-/t19-,20-,26-/m1/s1
InChIKeyNKCBCVIFPXGHAV-WAVSMFBNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C
OpenEye OEToolkits 1.5.0CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C
CACTVS 3.341CC[C@@H]1[C@@H](C)C(=O)N\C1=C/C2=N\C(=C/c3[nH]c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
CACTVS 3.341CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O
FormulaC33 H40 N4 O6
NamePHYCOERYTHROBILIN
ChEMBL
DrugBank
ZINCZINC000058633585
PDB chain6kgx Chain W4 Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6kgx Structural basis of energy transfer in Porphyridium purpureum phycobilisome.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S60 S61 V62 G201 T202 Y203 F209
Binding residue
(residue number reindexed from 1)		S33 S34 V35 G174 T175 Y176 F182
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 23:53:04 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()
   1435     title=pdb2title(pdbid)
   1436     if bs.startswith("BS"):
=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1438     else:
   1439         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '6kgx', asym_id = 'b4', bs = 'BS04', title = 'Structural basis of energy transfer in Porphyridium purpureum phycobilisome.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6kgx', asym_id='b4', bs='BS04', title='Structural basis of energy transfer in Porphyridium purpureum phycobilisome.')
   1295         display_ec(ec,csaOrig,csaRenu)
   1296     if go:
=> 1297         display_go(go,uniprot,pdbid,asym_id)
   1298     return pubmed,uniprot
   1299 
global display_go = <function display_go>, go = '0015979,0030089', uniprot = '', pdbid = '6kgx', asym_id = 'b4'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0015979,0030089', uniprot='', pdbid='6kgx', asym_id='b4')
    480         '''.replace("$namespace_link",namespace_link
    481           ).replace("$namespace",namespace
=>  482           ).replace("$uniprot",u
    483         ))
    484         for l,(term,name) in enumerate(go2aspect[Aspect]):
u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>